Sr3Ho(PaSb3)2
Alexandria ALEXAlex-ID: agm032248924 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D6_28_spg12
Sr2PaSb3 Pa3Sb4 HoSb Pa3Sb
2025-01-25 06:02:15
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm032248924).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
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# CIF generated by HEAS from Alexandria entry agm032248924
data_agm032248924
_cell_length_a 10.25619
_cell_length_b 10.25619
_cell_length_c 9.20920
_cell_angle_alpha 75.42778
_cell_angle_beta 104.57222
_cell_angle_gamma 154.47407
_cell_volume 403.30679
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Sr1 Sr 0.50000 0.50000 0.50000 1.00000
Sr2 Sr 0.83494 0.16506 0.16648 1.00000
Sr3 Sr 0.16506 0.83494 0.83352 1.00000
Ho1 Ho 0.50000 0.50000 0.00000 1.00000
Pa1 Pa 0.83572 0.16428 0.67058 1.00000
Pa2 Pa 0.16428 0.83572 0.32942 1.00000
Sb1 Sb 0.33791 0.66209 0.89940 1.00000
Sb2 Sb 0.67432 0.32568 0.56640 1.00000
Sb3 Sb 0.66209 0.33791 0.10060 1.00000
Sb4 Sb 0.00719 0.99281 0.23836 1.00000
Sb5 Sb 0.99281 0.00719 0.76164 1.00000
Sb6 Sb 0.32568 0.67432 0.43360 1.00000
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